Glycoside
GD096367
Name:
NoneFormula:
C20H34O11NSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+]C[C@H](O)COC(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CC(C)OCC(O)C[NH3+].COC(C)=OSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1[OH2+]Other Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 11 |
| MolWt: | 464.49 | Num_heavy_atoms: | 32 |
| TPSA: | 160.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD40986
Formula: C6H16O2N
Smiles:
CC(C)OCC(O)C[NH3+]| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 134.2 | Num_heavy_atoms: | 9 |
| TPSA: | 57.1 | NumAromaticRings: | 0 |
